dibutyl(trifluoromethyl)borane

C9H18BF3 — CID 19046335

IUPACdibutyl(trifluoromethyl)borane
SMILESCCCCB(CCCC)C(F)(F)F
InChIInChI=1S/C9H18BF3/c1-3-5-7-10(8-6-4-2)9(11,12)13/h3-8H2,1-2H3
InChIKeyLCCXSUHFIJIPCE-UHFFFAOYSA-N
MW194.05 g/mol
LogP4.18
Rot. Bonds6

About dibutyl(trifluoromethyl)borane

dibutyl(trifluoromethyl)borane (PubChem CID 19046335) has the molecular formula C9H18BF3 and a molecular weight of 194.05 g/mol. Its IUPAC name is dibutyl(trifluoromethyl)borane.

Molecular Properties

Compound Namedibutyl(trifluoromethyl)borane
PubChem CID19046335
Molecular FormulaC9H18BF3
Molecular Weight194.05 g/mol
Exact Mass194.15
IUPAC Namedibutyl(trifluoromethyl)borane
SMILESCCCCB(CCCC)C(F)(F)F
InChIInChI=1S/C9H18BF3/c1-3-5-7-10(8-6-4-2)9(11,12)13/h3-8H2,1-2H3
InChIKeyLCCXSUHFIJIPCE-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tributylborane;trifluoromethanesulfonic acid
CID 19887929
dibutyl(trifluoromethylsulfonyl)borane
CID 11288370
butyl(trifluoromethyl)azanium
CID 162251072
3,3-difluorooctane
CID 54258569
5,5-difluorononane
CID 21410163
dibutyl(2,2-dimethylpropyl)borane
CID 134906262
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
iron(3+);1,1,1-trifluoropentane
CID 161198772
1-fluoropentane;tetrafluoromethane
CID 175069152
3-methyloctadecan-3-amine
CID 54058172
butyl-di(propan-2-yloxy)borane
CID 3775344
3-methyl-3-(trifluoromethyl)heptane
CID 142541633

Frequently Asked Questions

What is the IUPAC name of dibutyl(trifluoromethyl)borane?
The IUPAC name of dibutyl(trifluoromethyl)borane (CID 19046335) is dibutyl(trifluoromethyl)borane.
What is the SMILES notation for dibutyl(trifluoromethyl)borane?
The canonical SMILES for dibutyl(trifluoromethyl)borane is CCCCB(CCCC)C(F)(F)F.
What is the InChIKey of dibutyl(trifluoromethyl)borane?
The InChIKey is LCCXSUHFIJIPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BF3/c1-3-5-7-10(8-6-4-2)9(11,12)13/h3-8H2,1-2H3.
What are the key properties of dibutyl(trifluoromethyl)borane?
dibutyl(trifluoromethyl)borane has a molecular weight of 194.05 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(trifluoromethyl)borane is sourced from PubChem (CID 19046335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).